(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine

Name: (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₅F₂N — CID 126666986

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine

SMILESCC1([C@H]2C[C@H](F)CN2)C=CC=C(F)C1

InChIInChI=1S/C11H15F2N/c1-11(4-2-3-8(12)6-11)10-5-9(13)7-14-10/h2-4,9-10,14H,5-7H2,1H3/t9-,10+,11?/m0/s1

InChIKeyNRQJMYKEWKESHM-MTULOOOASA-N

MW199.24 g/mol

LogP2.51

Rot. Bonds1

About (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine

(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 126666986) has the molecular formula C₁₁H₁₅F₂N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name	(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID	126666986
Molecular Formula	C₁₁H₁₅F₂N
Molecular Weight	199.24 g/mol
Exact Mass	199.12
IUPAC Name	(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
SMILES	CC1([C@H]2C[C@H](F)CN2)C=CC=C(F)C1
InChI	InChI=1S/C11H15F2N/c1-11(4-2-3-8(12)6-11)10-5-9(13)7-14-10/h2-4,9-10,14H,5-7H2,1H3/t9-,10+,11?/m0/s1
InChIKey	NRQJMYKEWKESHM-MTULOOOASA-N
XLogP	2.51
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.24
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?

The IUPAC name of (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine (CID 126666986) is (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine.

What is the SMILES notation for (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?

The canonical SMILES for (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine is CC1([C@H]2C[C@H](F)CN2)C=CC=C(F)C1.

What is the InChIKey of (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?

The InChIKey is NRQJMYKEWKESHM-MTULOOOASA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(4-2-3-8(12)6-11)10-5-9(13)7-14-10/h2-4,9-10,14H,5-7H2,1H3/t9-,10+,11?/m0/s1.

What are the key properties of (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?

(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine has a molecular weight of 199.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 126666986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 126666986 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.